Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | ACP3 | P15309 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CDC42 | P60953 | 1/20 | 0.45 |
| ▸ | RAC1 | P63000 | 1/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17295989 | 0.82 | LDHA (0.52) | NPSR1ACP3LDHAAKR1C3AKR1C2 | |
| SCHEMBL14936169 | 0.82 | CYP2D6 (0.45) | TSHRKMT2AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL21858502 | 0.82 | CYP2D6 (0.45) | TSHRKMT2AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL8080541 | 0.82 | CYP2D6 (0.45) | TSHRKMT2AL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL3829660 | 0.82 | LDHA (0.52) | NPSR1ACP3LDHAAKR1C3AKR1C2 | |
| SCHEMBL17295985 | 0.82 | LDHA (0.52) | NPSR1ACP3LDHAAKR1C3AKR1C2 | |
| SCHEMBL9768743 | 0.80 | MEN1 (0.50) | NPSR1ACP3LDHAAKR1C3AKR1C2 | |
| SCHEMBL3735338 | 0.78 | NPSR1 (0.44) | NPSR1ACP3LDHAAKR1C3AKR1C2 | |
| SCHEMBL24328881 | 0.77 | PTGS2 (0.50) | NPSR1ACP3LDHAAKR1C3AKR1C2 | |
| SCHEMBL4709268 | 0.77 | MAPK1 (0.52) | NPSR1ACP3LDHAAKR1C3AKR1C2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4175185-A | ESTERIFICATION, IMINOHALOGENATION, ETHERIFICATION, HYDROLYSIS, DEESTERIFICATION | MEIJI SEIKA KAISHA LTD. (JP) | 1979-11-20 | — | — | US | disclosed |